NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
CompoundParthenolide
NPACT-IdNPACT00844
IUPAC-
Synonyms(-)-Parthenolide
PubChem Id6473881
ClassTerpenoids
In-vitro anticancer activtiy 5 cancer cell lines
In-Vivo anticancer activtiy No
TargetsIL1B | NFKB1 |   All | 
Properties Physical   Elemental  Topological
InChi KeyKTEXNACQROZXEV-SLXBATTESA-N
InChi1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13-,15+/m0/s1
SMILESO1[C@]2([C@@H]1[C@H]1OC(=O)C(=C)[C@@H]1CCC(=CCC2)C)C
SMART[H]C([H])=C1C(=O)O[C@]2([H])[C@]3([H])O[C@]3(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]12[H]
CAS No.20554-84-1
Structure
Download

Cross Refrence in other databases
Super Natural   020554841
CTD   C002669
HIT   -
NCI-60 GI50 data   -
Suppliers Ambinter, MolPort, R&D Chemicals, Selleck Chemicals, Therapeutic Targets Database, 
Drug-Likeliness Filters Lipinski's rule of five   Yes
Ghose filter   Yes
Veber filter   Yes
Muegge Filter   Yes
Similarity SearchHuman metabolite databaseFDA approved drugs

 






Copyright © 2012. Subhash M. Agagrwal. All Rights Reserved.